Met002054: Spirolide A

Metabolite Information

Name

Spirolide A

IUPAC Name

2-[(10Z)-9,32-dihydroxy-6,10,13,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-4-methyl-2H-furan-5-one

Molecular Formula

C42H61NO7

Molecular Weight

691.9

Exact Mass

691.4448033

SMILES

CC1CCC23CCC(=C(C2C=C(C(CC4C(CC5(O4)CCC6(O5)C(CCC(O6)CC(=C)CCCC3=NC1)(C)O)C)O)C)C)C7C=C(C(=O)O7)C

InChIKey

NLUTVFJROHNTFD-OOAXWGSJSA-N

InChI

InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(15-11-26(2)24-43-37)16-13-32(36-21-28(4)38(45)47-36)30(6)33(40)20-27(3)34(44)22-35-29(5)23-41(49-35)17-18-42(50-41)39(7,46)14-12-31(19-25)48-42/h20-21,26,29,31,33-36,44,46H,1,8-19,22-24H2,2-7H3/b27-20-